SCHEMBL2604732

SCHEMBL2604732

CN1CCC[C@H]1C(=O)NC(C)(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.51
AADAT Q8N5Z0 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
GAA P10253 1/20 0.43
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 2/20 0.43
SCN9A Q15858 1/20 0.43
LMNA P02545 1/20 0.43
PRCP P42785 1/20 0.43
ACKR3 P25106 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20094218 0.81 CYP2D6 (0.48) CYP3A4CYP2D6GAACNR1CNR2
SCHEMBL20094189 0.81 CYP2D6 (0.48) CYP3A4CYP2D6GAACNR1CNR2
SCHEMBL17972884 0.80 ATM (0.50) SSTR4AADATCYP3A4CYP2D6DPP4
SCHEMBL12733497 0.78 SSTR4 (0.49) SSTR4AADATPRCPACKR3CHRM2
SCHEMBL12890054 0.78 ALDH1A1 (0.57) CYP3A4CYP2D6
SCHEMBL26207454 0.78 ALDH1A1 (0.57) CYP3A4CYP2D6
SCHEMBL12733485 0.77 SSTR4 (0.48) SSTR4AADATPRCPCNR1CNR2
SCHEMBL8097215 0.77 SSTR4 (0.60) SSTR4GAADPP4SCN9ALMNA
SCHEMBL20088451 0.77 CYP2D6 (0.53) AADATCYP3A4CYP2D6CNR1CNR2
SCHEMBL20088452 0.77 CYP2D6 (0.53) AADATCYP3A4CYP2D6CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO SSTR4 1920/4885AADAT 688/4885CYP3A4 2816/4885
US-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 SSTR4 1340/4885AADAT 4580/4885CYP3A4 4708/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 SSTR4 943/4885AADAT 4517/4885CYP3A4 4804/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO SSTR4 1920/4885AADAT 688/4885CYP3A4 2816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.